3-bromo-N-(2-chloro-6-methylphenyl)-4-methoxybenzenesulfonamide

C14H13BrClNO3S — CID 66256215

IUPAC3-bromo-N-(2-chloro-6-methylphenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2c(C)cccc2Cl)cc1Br
InChIInChI=1S/C14H13BrClNO3S/c1-9-4-3-5-12(16)14(9)17-21(18,19)10-6-7-13(20-2)11(15)8-10/h3-8,17H,1-2H3
InChIKeyXHVYMHKFKXXSNO-UHFFFAOYSA-N
MW390.69 g/mol
LogP4.22
Rot. Bonds4

About 3-bromo-N-(2-chloro-6-methylphenyl)-4-methoxybenzenesulfonamide

3-bromo-N-(2-chloro-6-methylphenyl)-4-methoxybenzenesulfonamide (PubChem CID 66256215) has the molecular formula C14H13BrClNO3S and a molecular weight of 390.69 g/mol. Its IUPAC name is 3-bromo-N-(2-chloro-6-methylphenyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-(2-chloro-6-methylphenyl)-4-methoxybenzenesulfonamide
PubChem CID66256215
Molecular FormulaC14H13BrClNO3S
Molecular Weight390.69 g/mol
Exact Mass388.95
IUPAC Name3-bromo-N-(2-chloro-6-methylphenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2c(C)cccc2Cl)cc1Br
InChIInChI=1S/C14H13BrClNO3S/c1-9-4-3-5-12(16)14(9)17-21(18,19)10-6-7-13(20-2)11(15)8-10/h3-8,17H,1-2H3
InChIKeyXHVYMHKFKXXSNO-UHFFFAOYSA-N
XLogP4.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.69
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2-chloro-6-methylphenyl)-3-methoxybenzenesulfonamide
CID 81442347
3-chloro-N-(2,6-dichlorophenyl)-4-methoxybenzenesulfonamide
CID 113098935
3-bromo-N-(3-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide
CID 103943880
N-(2-chloro-6-methylphenyl)-4-methylbenzenesulfonamide
CID 19256835
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 3801791
N-(3-bromo-4-methylphenyl)-3-chloro-4-methoxybenzenesulfonamide
CID 55676131
2-bromo-N-(2,6-dichlorophenyl)-4,5-dimethoxybenzenesulfonamide
CID 112773648
3-bromo-4-methoxy-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 39361432
4-(aminomethyl)-3-chloro-N-(2-chloro-6-methylphenyl)benzenesulfonamide
CID 106070735
N-(2-chloro-6-methylphenyl)-4-hydrazinylbenzenesulfonamide
CID 66255534
3-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,6-dimethylphenyl)-4-methoxybenzenesulfonamide
CID 71945704
4-methoxy-3-methyl-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide
CID 956359

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-chloro-6-methylphenyl)-4-methoxybenzenesulfonamide?
The IUPAC name of 3-bromo-N-(2-chloro-6-methylphenyl)-4-methoxybenzenesulfonamide (CID 66256215) is 3-bromo-N-(2-chloro-6-methylphenyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-bromo-N-(2-chloro-6-methylphenyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-bromo-N-(2-chloro-6-methylphenyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2c(C)cccc2Cl)cc1Br.
What is the InChIKey of 3-bromo-N-(2-chloro-6-methylphenyl)-4-methoxybenzenesulfonamide?
The InChIKey is XHVYMHKFKXXSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO3S/c1-9-4-3-5-12(16)14(9)17-21(18,19)10-6-7-13(20-2)11(15)8-10/h3-8,17H,1-2H3.
What are the key properties of 3-bromo-N-(2-chloro-6-methylphenyl)-4-methoxybenzenesulfonamide?
3-bromo-N-(2-chloro-6-methylphenyl)-4-methoxybenzenesulfonamide has a molecular weight of 390.69 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-chloro-6-methylphenyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 66256215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).